6-(2,4-dimethyl-3-octadecanoyl-pyrrol-1-yl)hexanenitrile

Systemtic Name: 6-(2,4-dimethyl-3-octadecanoyl-pyrrol-1-yl)hexanenitrile Openeye Name: 6-(2,4-dimethyl-3-octadecanoyl-pyrrol-1-yl)hexanenitrile CAS Name: 6-[2,4-dimethyl-3-(1-oxooctadecyl)-1-pyrrolyl]hexanenitrile IUPAC Name: 6-(2,4-dimethyl-3-octadecanoylpyrrol-1-yl)hexanenitrile Traditional Name: 6-(2,4-dimethyl-3-stearoyl-pyrrol-1-yl)hexanenitrile Formula: C30H52N2O MolecularWeight: 456.74668

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)C1=C(N(C=C1C)CCCCCC#N)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)C1=C(N(C=C1C)CCCCCC#N)C

InChI

InChI=1S/C30H52N2O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-29(33)30-27(2)26-32(28(30)3)25-22-19-18-21-24-31/h26H,4-23,25H2,1-3H3